CDPL.ForceField.MMFF94AtomChargeFunction Class Reference

A generic wrapper class used to store a user-defined MMFF94 partial atom charge function. More...

Inheritance diagram for CDPL.ForceField.MMFF94AtomChargeFunction:

Public Member Functions
None	__init__ ()
	Initializes the MMFF94AtomChargeFunction instance.
None	__init__ (MMFF94AtomChargeFunction func)
	Initializes a copy of the MMFF94AtomChargeFunction instance func. More...
None	__init__ (object callable)
	Initializes the MMFF94AtomChargeFunction instance. More...
float	__call__ (Chem.Atom arg1)
bool	__bool__ ()
bool	__nonzero__ ()

Detailed Description

A generic wrapper class used to store a user-defined MMFF94 partial atom charge function.

Constructor & Destructor Documentation

__init__() [1/2]

None CDPL.ForceField.MMFF94AtomChargeFunction.__init__

(

MMFF94AtomChargeFunction

func

)

Initializes a copy of the MMFF94AtomChargeFunction instance func.

Parameters

func	The MMFF94AtomChargeFunction instance to copy.

__init__() [2/2]

None CDPL.ForceField.MMFF94AtomChargeFunction.__init__

(

object

callable

)

Initializes the MMFF94AtomChargeFunction instance.

Parameters

callable

Member Function Documentation

__call__()

float CDPL.ForceField.MMFF94AtomChargeFunction.__call__

(

Chem.Atom

arg1

)

Parameters

arg1

Returns

__bool__()

bool CDPL.ForceField.MMFF94AtomChargeFunction.__bool__

(

)

Returns

__nonzero__()

bool CDPL.ForceField.MMFF94AtomChargeFunction.__nonzero__

(

)

Returns